Vitas-M small molecule compound
(5E)-5-(3-chlorobenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703901
SMILES Clc1cccc(c1)/C=C\1/SC(=S)N(C1=O)c1c(=O)n(n(c1C)C)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H16ClN3O2S2 MW 441.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O2S2/c1-13-18(20(27)25(23(13)2)16-9-4-3-5-10-16)24-19(26)17(29-21(24)28)12-14-7-6-8-15(22)11-14/h3-12H,1-2H3/b17-12+InChIKey
HKUFJGHCCGRLAK-SFQUDFHCSA-NSynonyms
(5E)5((3CHLOROPHENYL)METHYLIDENE)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3chlorobenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxo13thiazolidin4one
(Z)5(3chlorobenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxothiazolidin4one
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=CC=C4)Cl)SC3=S
Clc1cccc(c1)C=C1SC(=S)N(C1=O)c1c(=O)n(n(c1C)C)c1ccccc1
InChI=1SC21H16ClN3O2S2c11318(20(27)25(23(13)2)1694351016)2419(26)17(2921(24)28)121476815(22)1114h312H12H3b1712+
MFCD04446138
ZINC000026532058
ZINC26532058
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